Concepedia

Regulating the electron affinity of NiMo/Al2O3 to enhance ultra-deep hydrodesulfurization of diesel

Jixing Liu, Yan Wang, Wenfang Zhang, Shuqin Liang, Huifang Cheng, Peng Zheng, Peiwen Wu, Jian Liu, Jian Liu, Wenshuai Zhu

Applied Catalysis B: Environmental · 2025 · 33 citations · 46 references

DOI

Concepts

References

46

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Cooperative Rh-O<sub>5</sub>/Ni(Fe) Site for Efficient Biomass Upgrading Coupled with H<sub>2</sub> Production

Lingyou Zeng, Yanju Chen, Mingzi Sun et al. · Journal of the American Chemical Society · 2023 · 249 citations

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